[Cdk-devel] [ cdk-Bugs-746067 ] Wrong Bond assignment in AllRingsFinder

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Bugs item #746067, was opened at 2003-05-30 14:53
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Kai Hartmann (kaihartmann)
Assigned to: Nobody/Anonymous (nobody)
Summary: Wrong Bond assignment in AllRingsFinder

Initial Comment:
When searching a molecule like

MoleculeFactory.makeEthylPropylPhenantren();

the AllRingsFinder gives a ringsize of 6 for the small
rings, but with ring.getBondCount() you get 8 bonds
(two belonging to another ring). The ring.getOrderSum()
gives 11, which is a little bit to high for a
six-membered ring, isn't it?

By the way, getOrderSum() should return double, not int.

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